SCHEMBL21296699

SCHEMBL21296699

O=C(CBr)c1cnc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.65
CFTR P13569 1/20 0.58
PTPN1 P18031 2/20 0.57
RAB9A P51151 2/20 0.49
GSK3B P49841 1/20 0.48
TOP2A P11388 2/20 0.48
TOP2B Q02880 2/20 0.48
BCAT1 P54687 1/20 0.48
KDR P35968 2/20 0.48
MAP4K4 O95819 1/20 0.46
CSNK1G2 P78368 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4817449 0.83 MGAM (0.65) MGAMCFTRRAB9ATOP2ATOP2B
SCHEMBL8270577 0.83 MGAM (0.65) MGAMCFTRRAB9ATOP2ATOP2B
SCHEMBL529904 0.83 MGAM (0.65) MGAMCFTRRAB9ATOP2ATOP2B
SCHEMBL5363975 0.82 MGAM (0.68) MGAMCFTRRAB9ATOP2ATOP2B
SCHEMBL12505008 0.81 CFTR (0.68) MGAMCFTRRAB9ATOP2ATOP2B
SCHEMBL7600509 0.81 GSK3B (0.49) MGAMCFTRPTPN1RAB9AGSK3B
SCHEMBL9700485 0.81 MGAM (0.61) MGAMCFTRRAB9ATOP2ATOP2B
SCHEMBL7100632 0.81 MGAM (0.61) MGAMCFTRRAB9ATOP2ATOP2B
SCHEMBL9361658 0.81 MGAM (0.61) MGAMCFTRRAB9ATOP2ATOP2B
SCHEMBL7371232 0.80 MGAM (0.76) MGAMCFTRRAB9ATOP2ATOP2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
EP-3755323-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME The Regents Of The University Of Michigan (US) 2020-12-30 EP disclosed
WO-2019165358-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK MGAM 2303/4885CFTR 1913/4885PTPN1 2816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.